SCHEMBL8906183

SCHEMBL8906183

CCCCc1nc2ccc(C(=O)C(C)CC(=O)O)cc2n1-c1cccc(-c2ccccc2C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.43
AGTR2 P50052 3/20 0.43
PPARG P37231 4/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8906640 0.86 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL8906180 0.84 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL8905418 0.83 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL8906790 0.82 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL8393417 0.81 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL8906803 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8905815 0.79 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL8906716 0.79 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9096878 0.79 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL8905664 0.79 AGTR1 (0.44) AGTR1AGTR2PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed